python scripts for interacting with GMIN

Compilation
-----------
python setup.py build_ext -i

ptmc
----
these are scripts for parallel tempering monte carlo with GMIN


makecvplots.py : makes a bunch of heat capacity plots.  It combines the
Visits.his files in all the subdirectories, and computes and plots the heat
capacity.  It does this using several subsamples of the existing data so you
can see how the curve changes with time.  It also uses bootstrap resampling to
estimate the statistical errors in the heat capacity.  This can compute the
heat capacity at the replica temperatures or use histogram reweighting to
estimate the heat capacity at other temperatures.

plot_exchanges.py : this reads the PT exchanges from the output files and plots
a bunch of useful information.  You can see how the replicas move up and down
through temperature space, you can see the occupation probability, and the
exchange probability.  It also estimates how well the replicas are diffusing in
temperature which is a good measure of equilibration (necessary, but not
sufficient).

plot_visits.py  : this plots visits histograms so you can ensure you set your
energy bounds correctly


usage :  from the simulation directory.  (-h for more options)
python ~/svn/SCRIPTS/python/ptmc/makecvplots.py --ndof=<n.d.o.f.>
python ~/svn/SCRIPTS/python/ptmc/plot_visits.py
python ~/svn/SCRIPTS/python/ptmc/plot_exchanges.py
